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114717-14-5

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Basic Information
CAS No.: 114717-14-5
Name: 3-Imidazolyl-L-alanine
Article Data: 1
Molecular Structure:
Molecular Structure of 114717-14-5 (3-Imidazolyl-L-alanine)
Formula: C6H9N3O2
Molecular Weight: 155.156
Synonyms: 1H-Imidazole-1-propanoicacid, a-amino-, (S)-;
Density: 1.445 g/cm3
Boiling Point: 417.297 °C at 760 mmHg
Flash Point: 206.174 °C
PSA: 81.14000
LogP: -0.00470
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Chemistry

Molecular Structure of 3-Imidazolyl-L-alanine (CAS No.114717-14-5):

Molecular Formula: C6H9N3O2  
Molecular Weight: 155.15
CAS No: 114717-14-5
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 81.14 Å2
Index of Refraction: 1.631
Molar Refractivity: 38.27 cm3
Molar Volume: 107.3 cm3
Surface Tension: 63.9 dyne/cm
Density: 1.44 g/cm3
Flash Point: 206.2 °C
Enthalpy of Vaporization: 70.71 kJ/mol
Boiling Point: 417.3 °C at 760 mmHg
Vapour Pressure: 1.04E-07 mmHg at 25°C
InChI: InChI=1/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m0/s1
InChIKey: FWBXNMSLCRNZOV-YFKPBYRVBU
Std. InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)3-9-2-1-8-4-9/h1-2,4-5H,3,7H2,(H,10,11)/t5-/m0/s1
Std. InChIKey: FWBXNMSLCRNZOV-YFKPBYRVSA-N
Product Categories: Amino Acids

Specification

   3-Imidazolyl-L-alanine (CAS No.114717-14-5), its synonyms are L-ss-imidazolyl alanine ; L-β-imidazolyl alanine ; (S)-2-Amino-3-(imidazol-1-yl)propanoic acid ; 3-Imidazolyl-L-alanine ; Ccris 7951 ; L-Isohistidine